2-dibenzofuran-4-yl-1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-2-(3-phenylphenyl)dibenzofuran

C108H66O3 — CID 159693215

About 2-dibenzofuran-4-yl-1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-2-(3-phenylphenyl)dibenzofuran

2-dibenzofuran-4-yl-1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-2-(3-phenylphenyl)dibenzofuran (PubChem CID 159693215) has the molecular formula C108H66O3 and a molecular weight of 1421.77 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-2-(3-phenylphenyl)dibenzofuran.

Molecular Properties

• Compound Name: 2-dibenzofuran-4-yl-1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-2-(3-phenylphenyl)dibenzofuran
• PubChem CID: 159693215
• Molecular Formula: C108H66O3
• Molecular Weight: 1421.77 g/mol
• Exact Mass: 1420.56
• IUPAC Name: 2-dibenzofuran-4-yl-1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-2-(3-phenylphenyl)dibenzofuran
• SMILES: [2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cc(-c4c(-c5cccc(-c6ccccc6)c5)ccc5oc6ccccc6c45)cc4ccccc34)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cc(-c4c(-c5cccc6c5oc5ccccc56)ccc5oc6ccccc6c45)cc4ccccc34)c3ccccc23)c([2H])c1[2H]
• InChI: InChI=1S/C54H32O2.C54H34O/c1-2-15-33(16-3-1)50-38-20-6-8-22-40(38)52(41-23-9-7-21-39(41)50)46-32-35(31-34-17-4-5-18-36(34)46)51-42(29-30-49-53(51)45-24-11-13-28-48(45)55-49)44-26-14-25-43-37-19-10-12-27-47(37)56-54(43)44;1-3-16-35(17-4-1)37-21-15-22-39(32-37)42-30-31-50-54(47-28-13-14-29-49(47)55-50)52(42)40-33-38-20-7-8-23-41(38)48(34-40)53-45-26-11-9-24-43(45)51(36-18-5-2-6-19-36)44-25-10-12-27-46(44)53/h1-32H;1-34H/i1D,2D,3D,15D,16D;2D,5D,6D,18D,19D
• InChIKey: MWRFJGWATGUQGA-MFQZERJWSA-N
• XLogP: 30.99
• TPSA: 39.42 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1421.77
LogP ≤ 5	30.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-2-(3-phenylphenyl)dibenzofuran?

The IUPAC name of 2-dibenzofuran-4-yl-1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-2-(3-phenylphenyl)dibenzofuran (CID 159693215) is 2-dibenzofuran-4-yl-1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-2-(3-phenylphenyl)dibenzofuran.

What is the SMILES notation for 2-dibenzofuran-4-yl-1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-2-(3-phenylphenyl)dibenzofuran?

The canonical SMILES for 2-dibenzofuran-4-yl-1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-2-(3-phenylphenyl)dibenzofuran is [2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cc(-c4c(-c5cccc(-c6ccccc6)c5)ccc5oc6ccccc6c45)cc4ccccc34)c3ccccc23)c([2H])c1[2H].[2H]c1c([2H])c([2H])c(-c2c3ccccc3c(-c3cc(-c4c(-c5cccc6c5oc5ccccc56)ccc5oc6ccccc6c45)cc4ccccc34)c3ccccc23)c([2H])c1[2H].

What is the InChIKey of 2-dibenzofuran-4-yl-1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-2-(3-phenylphenyl)dibenzofuran?

The InChIKey is MWRFJGWATGUQGA-MFQZERJWSA-N. The full InChI is InChI=1S/C54H32O2.C54H34O/c1-2-15-33(16-3-1)50-38-20-6-8-22-40(38)52(41-23-9-7-21-39(41)50)46-32-35(31-34-17-4-5-18-36(34)46)51-42(29-30-49-53(51)45-24-11-13-28-48(45)55-49)44-26-14-25-43-37-19-10-12-27-47(37)56-54(43)44;1-3-16-35(17-4-1)37-21-15-22-39(32-37)42-30-31-50-54(47-28-13-14-29-49(47)55-50)52(42)40-33-38-20-7-8-23-41(38)48(34-40)53-45-26-11-9-24-43(45)51(36-18-5-2-6-19-36)44-25-10-12-27-46(44)53/h1-32H;1-34H/i1D,2D,3D,15D,16D;2D,5D,6D,18D,19D.

What are the key properties of 2-dibenzofuran-4-yl-1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-2-(3-phenylphenyl)dibenzofuran?

2-dibenzofuran-4-yl-1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-2-(3-phenylphenyl)dibenzofuran has a molecular weight of 1421.77 g/mol, XLogP of 30.99, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-dibenzofuran-4-yl-1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]dibenzofuran;1-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-2-yl]-2-(3-phenylphenyl)dibenzofuran is sourced from PubChem (CID 159693215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).